Glycoside
GD157972
Name:
[3,4,5-tris(acetyloxy)-6-[4-(acetyloxy)phenoxy]oxan-2-yl]methyl 6-hydroxy-2,6-dimethylocta-2,7-dienoateFormula:
C30H38O13Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(Oc2ccc(OC(C)=O)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC.CC(=O)Oc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 606.62 | Num_heavy_atoms: | 43 |
| TPSA: | 170.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD16362
Formula: C11H18O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD55426
Formula: C8H8O3
Smiles:
CC(=O)Oc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
